2-(1,3-benzothiazol-2-yl)-4-({[2-(4-methoxyphenyl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-({[2-(4-methoxyphenyl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-({[2-(4-methoxyphenyl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-4396 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-({[2-(4-methoxyphenyl)ethyl]imino}methyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 446.45 |
| Molecular Formula: | C21 H17 F3 N4 O2 S |
| Smiles: | COc1ccc(CC/N=C/C2C(C(F)(F)F)=NN(C2=O)c2nc3ccccc3s2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4477 |
| logD: | 3.2724 |
| logSw: | -4.3534 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.268 |
| InChI Key: | UDJSZKQBWLGJJR-HURLIOHXSA-N |